CSGF Annual Program Review Agenda

Department of Energy Computational Science Graduate Fellowship

2019 Annual Program Review Agenda

Sunday, July 14 – Thursday, July 18 Crystal Gateway Marriott Hotel, Arlington, VA Updated Thursday, July 11, 2019

Sunday, July 14

11:30am – 8:00pm Registration — Grand Registration Desk

12:00 – 12:30pm New Fellow Orientation — Salons H & J

12:30 – 1:30pm New Fellow Luncheon — Salons H & J

2:00 – 5:00pm New Fellow Programming — Various

7:00 – 9:00pm Making Connections Reception & Game Night — Salons H & J All conference attendees who have arrived in D.C. are encouraged to attend.

Monday, July 15

7:00am – 6:00pm Registration — Grand Registration Desk

7:00 – 8:30am Continental Breakfast — Salons H & J

8:30 – 8:45am DOE CSGF Welcome & Incoming Fellows Introduction — Salons A, B & C David Brown — Director, Computational Research Division, Lawrence Berkeley National Laboratory

8:45 – 9:00am DOE Office of Science Welcome Steve Binkley — Principal Deputy Director for Science Programs, Office of Science, U.S. Department of Energy

9:00 – 9:15am DOE NNSA Welcome Charles P. Verdon — Deputy Administrator for Defense Programs, National Nuclear Security Administration, U.S. Department of Energy

9:15 – 10:00am Keynote Jarrod McClean — Senior Research Scientist, Quantum Artificial Intelligence Lab, Google; DOE CSGF Alumnus “Quantum Computation for Science”

10:00 – 10:20am Break — Foyer, Salons A, B & C

Session I — Salons A, B & C Moderator: Christine Chalk — Office of Science, U.S. Department of Energy

10:20 – 10:40am Casey Berger — University of North Carolina, Chapel Hill “Complex Langevin in Nonrelativistic Rotating Bosonic Systems”

10:40 – 11:00am Maximilian Bremer — University of Texas “Simulation of Shallow Water Flows Using HPX”

11:00 – 11:20am Mario Ortega — University of California, Berkeley “A Rayleigh Quotient Fixed-Point Method for Alpha-Eigenvalue Problems”

11:20 – 11:40am Helena Qi — Massachusetts Institute of Technology “Large-Scale Analysis of Electronic Effects in Protein Structure”

1:15 – 1:25pm Announcement of Frederick Howes Scholars — Salons A, B & C Jeffrey Hittinger — Director and Division Leader, Center for Applied Scientific Computing, Lawrence Livermore National Laboratory; DOE CSGF Alumnus

1:25 – 1:55pm Howes Scholar Presentation - 2018 Awardee Sarah Middleton — Computational Biologist, Functional Genomics, GlaxoSmithKline; DOE CSGF Alumna “Single Cell Sequencing for Drug Discovery: Applications and Challenges”

1:55 – 2:25pm Howes Scholar Presentation - 2019 Awardee Adam Riesselman — Machine Learning – Lead Engineer, insitro; DOE CSGF Alumnus “Reasoning About Biology With Data-Driven Approaches”

2:25 – 2:55pm Howes Scholar Presentation - 2019 Awardee Chelsea Harris — Research Associate, Michigan State University; DOE CSGF Alumna “Toward Exascale Astrophysics of Magnetic Supernovae”

2:55 – 3:15pm Break — Foyer, Salons A, B & C

3:00 – 5:00pm DOE Laboratory Poster Session Set Up — Salons H, J & K

3:15 – 4:15pm Practicum Session with DOE Laboratory Introductions — Salons A, B & C Intended for incoming fellows and those yet to complete a practicum. Each practicum coordinator will provide a brief introduction to their laboratory and speak about potential practicum experiences.

4:15 – 5:00pm Practicum Q&A Panel Current fellows will discuss their recent practicum experiences at laboratories across the country. Topics will include exploration of research topics, site selection, lab life, and what one can expect when embarking on this immersive opportunity afforded by the DOE CSGF. Matthew Carbone — Columbia University (Brookhaven National Laboratory, 2018) Harshil Kamdar — Harvard University (National Renewable Energy Laboratory, 2018) Morgan Kelley — University of Texas (Argonne National Laboratory, 2018) Quentarius Moore — Texas A&M University (Sandia National Laboratories, New Mexico, 2018) Kelly Moran — Duke University (Los Alamos National Laboratory, 2017 and 2018)

5:00 – 7:00pm DOE Laboratory Poster Session — Salons H, J & K

Tuesday, July 16

7:00am – 6:00pm Registration — Grand Registration Desk

7:00 – 8:30am Continental Breakfast — Salons H & J

Session II — Salons A, B & C Moderator: David Etim, National Nuclear Security Administration, U.S. Department of Energy

8:30 – 8:45am Announcements

8:45 – 9:30am Keynote Wayne Joubert — Computational Scientist, Oak Ridge Leadership Computing Facility, Oak Ridge National Laboratory “Using Innovative Compute Hardware for Breakthrough Science: Computational Genomics at Exascale With the CoMet Application”

9:30 – 9:50am Nicholas Boffi — Harvard University “Parallel Three-Dimensional Simulations of Quasi-Static Elastoplastic Solids”

9:50 – 10:10am Hannah Klion — University of California, Berkeley “The Multi-D Effects of Jets on Neutron Star Merger Light Curves”

10:10 – 10:25am Break — Foyer, Salons A, B & C

10:25 – 10:45am Emmet Cleary — California Institute of Technology “Bayesian Inversion of Climate Models”

10:45 – 11:05am Richard Barnes — University of California, Berkeley “Algorithms for and Applications of Multi-Scale Geospatial Analysis”

11:05 – 11:25am Alexander Williams — Stanford University “Examining Large-Scale Neural Data With Single-Trial Resolution”

11:25 – 11:45am Zane Crawford — Michigan State University “A Novel Formulation of a Finite Element-Based Particle-in-Cell Method”

11:45am – 1:00pm Luncheon & Civics Talk — Salons H & J Meyer Seligman — Professional Staff Member, U.S. Senate Committee on Appropriations – Subcommittee on Energy and Water Development

Session IV — Salons A, B & C Moderator: David Etim, National Nuclear Security Administration, U.S. Department of Energy

1:20 – 1:40pm Noah Mandell — Princeton University “Electromagnetic Gyrokinetic Turbulence Simulations in the Tokamak Edge With Discontinuous Galerkin Methods”

1:40 – 2:00pm Ian Dunn — Columbia University “Exact Simulations of Electron-Phonon Dynamics: Direct and Iterative Projection Approaches for Removing Instabilities”

2:00 – 2:20pm Carson Kent — Stanford University “Optimization in the Space of Measures: Machine Learning Using Optimal Transport”

2:30 – 3:00pm Fourth-Year/Outgoing Fellow Session & Portraits — Jefferson

3:00 – 5:00pm Fellows' Poster Session Set-Up — Salons H, J & K

3:00 – 4:00pm Photo Session: Fellow & Alumni Portrait Retakes — Jackson

4:00 – 5:00pm Photo Session: Incoming Fellows (Portraits & Group Photo) — Jackson

5:00 – 7:00pm Fellows' Poster Session — Salons H, J & K

Wednesday, July 17

7:00am – 5:00pm Registration — Grand Registration Desk

7:00 – 8:30am Continental Breakfast — Salons D, E, F & G

Session V — Salons A, B & C Moderator: Thomas R. O'Donnell, Krell Institute

8:30 – 8:45am CYSE Contest Award Presentation Thomas R. O'Donnell — Science Media Editor, Krell Institute

Copyright ©2019 Krell Institute. All Rights Reserved. 3 8:45 – 9:45am Alumni Q&A Panel: Early Career Insights A group of recent alumni will speak about their experiences working in a variety of environments — including the pre- and post-graduation paths they took to arrive at where they are today. Jaydeep Bardhan, Moderator — Technologist in Residence, GlaxoSmithKline Eileen Martin, Panelist — Assistant Professor, Mathematics, Virginia Tech Heather Mayes, Panelist — Staff Scientist, National Renewable Energy Laboratory Jarrod McClean, Panelist — Senior Research Scientist, Quantum Artificial Intelligence Lab, Google Andrew Stershic, Panelist — Senior R&D Mechanical Engineer, Sandia National Laboratories, California

9:45 – 10:45am Alumni Q&A Panel: Communication & Leadership This group of alumni will share what they've learned in the process of building social media platforms, brands, companies and teams; and in writing and reviewing proposals for fellowships, funding, and computing allocations. One thing holds true for all of their experiences: Understanding your audience and communicating with clarity and purpose is key. Paul Sutter, Moderator — Astrophysicist, The Ohio State University Judith Hill, Panelist — Computational Scientist and Scientific Computing Group Leader, National Center for Computational Sciences, Oak Ridge National Laboratory Amanda Randles, Panelist — Assistant Professor, Biomedical Engineering, Duke University Sarah Richardson, Panelist — Chief Executive Officer, MicroByre Samuel Skillman, Panelist — Computational Scientist, Descartes Labs

10:45 – 11:00am Break — Foyer, Salons A, B & C

11:00am – 12:00pm HPC Workshop Preparation & NERSC Account Support — Salons H, J & K Fellows and mentors will meet in their assigned groups, set up their workstations, and take final steps to ensure that all are set to run on NERSC's newest supercomputer, Cori.

12:00 – 1:00pm Luncheon — Salons D, E, F & G

HPC Workshop — Salons H, J & K The 2019 HPC Workshop will provide incoming through fourth-year fellows with hands-on training and access to NERSC's Cori supercomputer. Fellows will organize in teams, with each group assisted by a mentor. Non-fellows are welcome to attend the workshop as observers.

1:00 – 1:30pm Workshop Overview & Introductions Organizers: Amanda Randles* — Duke University Jack Deslippe* — Lawrence Berkeley National Laboratory/NERSC

Mentors: Gerald Wang* — Carnegie Mellon University Erik Draeger — DOE Exascale Computing Project David Ozog* — Intel Brandon Cook and Stephen Leak — Lawrence Berkeley National Laboratory/NERSC Joshua Vermaas* — National Renewable Energy Laboratory Mark Berrill*, Steven Hamilton* and Matthew Norman* — Oak Ridge National Laboratory Michael Wolf* — Sandia National Laboratories, New Mexico Matthew Reuter* — Stony Brook University David Rogers* — University of South Florida Eileen Martin* — Virginia Tech

* DOE CSGF Alumni

1:30 – 3:00pm Introduction to MPI Yanfei Guo — Assistant Computer Scientist, Argonne National Laboratory “Parallel Programming With Message Passing Interface”

3:00 – 3:15pm Break

3:15 – 5:15pm MPI Hands-on Session Yanfei Guo — Argonne National Laboratory This collaborative session will use Conway’s Game of Life as an example application.

5:30 – 6:00pm Day 1 Conclusion

Thursday, July 18

7:00 – 8:00am Continental Breakfast — Salons A, B & C

HPC Workshop — Salons H, J & K

8:00 – 8:15am Day 2 Overview

8:15 – 9:30am Introduction to Intel VTune Amplifier and Intel Advisor Kevin O'Leary — Senior Technical Consulting Engineer, Intel An introductory section on performance profiling.

9:30 – 9:45am Break & Hotel Check Out

9:45 – 11:15am Intel Hands-on Session Kevin O'Leary — Intel Real-time analysis of programs using Intel® VTune™ Amplifier and Intel® Advisor.

11:15am – 12:00pm DOE Exascale Computing Project (ECP) Erik W. Draeger — Deputy Directory of Application Development, Exascale Computing Project “DOE Exascale Computing Project (ECP) Objectives and Opportunities”

12:00 – 12:30pm Workshop Conclusion & Comments

12:30 – 1:30pm Luncheon — Salons A, B & C Buffet-style with grab-and-go options for those with afternoon departures.